CID 4146662

70585-57-8

Structural Information

Molecular Formula

C₁₆H₂₃NO₄

SMILES

COC1=CC(=C(C(=C1)OC)C(=O)CCCN2CCCC2)O

InChI

InChI=1S/C16H23NO4/c1-20-12-10-14(19)16(15(11-12)21-2)13(18)6-5-9-17-7-3-4-8-17/h10-11,19H,3-9H2,1-2H3

InChIKey

CSRSHQICCMIBML-UHFFFAOYSA-N

Compound name

1-(2-hydroxy-4,6-dimethoxyphenyl)-4-pyrrolidin-1-ylbutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 293.16272 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	294.169996	169.1
[M+Na]+	316.151938	174.6
[M-H]-	292.155444	172.7
[M+NH4]+	311.196543	184.2
[M+K]+	332.125878	172.0
[M+H-H2O]+	276.159980	161.4
[M+HCOO]-	338.160921	187.9
[M+CH3COO]-	352.176571	200.4
[M+Na-2H]-	314.137386	168.0
[M]+	293.16217142	171.0
[M]-	293.16326858	171.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe